Crystallography Open Database

Information card for entry 7063429

Preview

Coordinates	7063429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N2 O2
Calculated formula	C26 H22 N2 O2
Title of publication	Synthesis of imidazole-fused pentacyclic pyrrolo[3,4-c]coumarins via base-promoted rearrangement of coumarin-substituted N-heterocyclic carbene precursors
Authors of publication	Karataş, Mert Olgun; Özdemir, Namık; Küçükbay, Hasan
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	38
Pages of publication	16676 - 16682
a	19.64 ± 0.0016 Å
b	14.6692 ± 0.0016 Å
c	7.1693 ± 0.0006 Å
α	90°
β	96.833 ± 0.007°
γ	90°
Cell volume	2050.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1397
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	0.863
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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